JOPSS - Search Results

Journal Articles

Neutron powder diffraction and difference maximum entropy method analysis of protium- and deuterium-dissolved BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$

Nagasaki, Takanori*; Shiotani, Shinya*; Igawa, Naoki; Yoshino, Masahito*; Iwasaki, Kota*; Fukazawa, Hiroshi; Utsumi, Wataru

Journal of Solid State Chemistry, 182(10), p.2632 - 2639, 2009/10

https://doi.org/10.1016/j.jssc.2009.06.024

Times Cited Count：6 Percentile：23.75(Chemistry, Inorganic & Nuclear)

We propose a new method, a difference maximum entropy method (MEM) analysis of the neutron diffraction data, for revealing the detailed structure around hydrogen atoms in proton-conducting oxides. This MEM analysis uses the differences between the structure factors of protium- and deuterium-dissolved crystals. Simulations demonstrate that it not only provides the distribution of hydrogen atoms alone, but also improves the spatial resolution of MEM mapping around hydrogen atoms. Applied to actual diffraction data of protium- and deuterium-dissolved BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ at 9 K, difference MEM analysis reveals that O-D bonds mostly tilt towards the second nearest oxygen atoms, and that the distributions of deuterium and oxygen atoms are probably insignificant in interstitial regions.

Journal Articles

Location of deuterium atoms in BaZr $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ by neutron powder diffraction

Nagasaki, Takanori*; Ito, Tsuyoshi*; Yoshino, Masahito*; Iwasaki, Kota*; Shiotani, Shinya*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu*

Journal of Nuclear Science and Technology, 45(Suppl.6), p.122 - 127, 2008/09

https://doi.org/10.1080/00223131.2008.10875992

Times Cited Count：5 Percentile：35.07(Nuclear Science & Technology)

The neutron powder diffraction measurement was carried out at 10 K on the proton-conducting oxide BaZr $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ with and without dissolved D $_{2}$ O. Obtained diffraction data were analyzed by the Rietveld method and the maximum entropy method. It was found that deuterium atoms were located close the 12 site of the cubic perovskite structure with the space group -.

Journal Articles

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ at 77-473 K by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 178(7-10), p.607 - 613, 2007/04

https://doi.org/10.1016/j.ssi.2007.01.024

Times Cited Count：7 Percentile：35.29(Chemistry, Physical)

no abstracts in English

Journal Articles

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ by neutron powder diffraction at 10 K

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 178(1-2), p.13 - 17, 2007/01

https://doi.org/10.1016/j.ssi.2006.10.030

Times Cited Count：17 Percentile：59.31(Chemistry, Physical)

no abstracts in English

Journal Articles

The Determination of deuteron site in SrZr $_{0.95}$ Sc $_{0.05}$ O $_{3-alpha}$ by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 177(26-32), p.2353 - 2356, 2006/10

https://doi.org/10.1016/j.ssi.2006.03.052

Times Cited Count：11 Percentile：47.25(Chemistry, Physical)

no abstracts in English

Oral presentation

Location of deuterium atoms in perovskite-type oxide by neutron powder diffraction at 10 K

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

no journal, ,

no abstracts in English

Oral presentation

Deuteron site in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+a}$ and its change with temperature by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, ,

no abstracts in English

Oral presentation

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$ -D $_{2}$ O by neutron powder diffraction at 10 K, 1

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, ,

no abstracts in English

Oral presentation

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$ -D $_{2}$ O at 77-473 K by neutron powder diffraction, 2

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, ,

no abstracts in English

Oral presentation

Neutron powder diffraction and difference MEM analysis of D $_{2}$ O- and H $_{2}$ O-dissolved Ba(Sn,In)O $_{3}$ proton conductors, 1; Theoretical basis and spatial resolution of difference MEM analysis

Nagasaki, Takanori*; Shiotani, Shinya*; Igawa, Naoki; Iwasaki, Kota*; Yoshino, Masahito*; Fukazawa, Hiroshi; Utsumi, Wataru

no journal, ,

Oral presentation

Neutron powder diffraction and difference MEM analysis of D $_{2}$ O- and H $_{2}$ O-dissolved Ba(Sn,In)O $_{3}$ proton conductors, 2; Application to actual data and its evaluation

Shiotani, Shinya*; Nagasaki, Takanori*; Igawa, Naoki; Iwasaki, Kota*; Yoshino, Masahito*; Fukazawa, Hiroshi; Utsumi, Wataru

no journal, ,

A difference maximum entropy method (MEM) analysis was applied to actual neutron powder diffraction data of D $_{2}$ O- and H $_{2}$ O- dissolved Ba(Sn,In)O $_{3}$ . It was found that a difference MEM analysis provided to be effective to improve the spatial resolution of MEM mapping for the structure around hydrogen atoms.

Oral presentation

Static disorder in the crystal structure of perovskite-type proton-conducting oxide BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$

Hayakawa, Kazutaka*; Nagasaki, Takanori*; Yamada, Tomoaki*; Yoshino, Masahito*; Igawa, Naoki; Hoshikawa, Akinori*; Ishigaki, Toru*

no journal, ,

Static disorder in the crystal structure of perovskite-type proton conducting oxide BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$ is investigated by atomistic simulation based on empirical potentials. The neutron scattering length density distribution for Ba and O obtained by the simulation is similar to that obtained by analyzing the neutron powder diffraction data using maximum entropy method.

Presentation/Publication Type

Journal/Book Title

Meeting title

First Author

Keyword

Language

Publication Year

Held year of conference

Neutron powder diffraction and difference maximum entropy method analysis of protium- and deuterium-dissolved BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$

Location of deuterium atoms in BaZr $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ by neutron powder diffraction

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ at 77-473 K by neutron powder diffraction

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+alpha}$ by neutron powder diffraction at 10 K

The Determination of deuteron site in SrZr $_{0.95}$ Sc $_{0.05}$ O $_{3-alpha}$ by neutron powder diffraction

Location of deuterium atoms in perovskite-type oxide by neutron powder diffraction at 10 K

Deuteron site in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75+a}$ and its change with temperature by neutron powder diffraction

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$ -D $_{2}$ O by neutron powder diffraction at 10 K, 1

Location of deuterium atoms in BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$ -D $_{2}$ O at 77-473 K by neutron powder diffraction, 2

Neutron powder diffraction and difference MEM analysis of D $_{2}$ O- and H $_{2}$ O-dissolved Ba(Sn,In)O $_{3}$ proton conductors, 1; Theoretical basis and spatial resolution of difference MEM analysis

Neutron powder diffraction and difference MEM analysis of D $_{2}$ O- and H $_{2}$ O-dissolved Ba(Sn,In)O $_{3}$ proton conductors, 2; Application to actual data and its evaluation

Static disorder in the crystal structure of perovskite-type proton-conducting oxide BaSn $_{0.5}$ In $_{0.5}$ O $_{2.75}$